Geometry & MOs

Info

ID:	49978
PubChem CID:	11538572
Reduced:	NO2C27H29 (1)
Stoich.:	AB2C27D29 (1)
Weight, g/mol:	399.178062
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	3.63
IP(EA), eV:	-9.16(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-methylsulfanyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[C@H](C(=O)OC(C)(C)C)N=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations